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Metoclopramide EP Impurity H

CAT: 1596-AR-M01651-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01651-01Size:25 Units
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CAS Number
50-86-2
Synonyms
4-acetamido-2-hydroxybenzoicacid;4- (Acetylamino) -2-hydroxybenzoic Acid; 2-Hydroxy-4-acetamidobenzoic Acid; 3-Hydroxy-4-carboxyacetanilide; 4-Acetamido-2-hydroxybenzoic Acid; 4-Acetamidosalicylic Acid; N-Acetyl-4-aminosalicylic Acid; N-Acetyl-p-aminosalicylic Acid; NSC 54182; p- (Acetylamino) salicylic Acid; p-Acetamidosalicylic Acid; Metoclopramide EP Impurity H; N-Acetyl-4-aminosalicylic Acid
Molecular Formula
C9H9NO4
Molecular Weight
195.17
API Name
Metoclopramide

Chemical Information

4-Acetamidosalicylic acid

4-acetamidosalicylic acid is a amidobenzoic acid that consists of salicylic acid bearing an acetamido substituent at position 4. It is a monohydroxybenzoic acid and an amidobenzoic acid. It is functionally related to a salicylic acid.

CAS Number50-86-2
PubChem CID65509
IUPAC Name4-acetamido-2-hydroxybenzoic acid
Molecular FormulaC9H9NO4
Molecular Weight195.17
XLogP1.6
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity241
SMILES
CC(=O)NC1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)
InChIKey
YBTVSGCNBZPRBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Acetamidosalicylic acid
CAS: 50-86-2
CID: 65509
Formula: C9H9NO4
MW: 195.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.17
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass195.05315777
Monoisotopic Mass195.05315777
Topological Polar Surface Area86.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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